SCHEMBL6229208

SCHEMBL6229208

O=C(C[n+]1c(C(=O)O)cccc1C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 2/20 0.48
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP3A4 P08684 1/20 0.48
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48
CES1 P23141 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 4/20 0.45
GSK3B P49841 2/20 0.45
PTPN1 P18031 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
LMNA P02545 1/20 0.44
NR4A2 P43354 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Bromide SCHEMBL6228655 0.98 KMT2A (0.49) KMT2AMEN1MAPK1MAPTTDP1
Bromide SCHEMBL3884586 0.76 KMT2A (0.53) KMT2AMEN1MAPK1MAPTTDP1
Bromide SCHEMBL6230012 0.74 KMT2A (0.47) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL764729 0.70 KMT2A (0.57) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL765905 0.69 KDM4E (0.76) KMT2AMEN1MAPK1MAPTTDP1
Hydrochloric Acid SCHEMBL2527501 0.68 KMT2A (0.73) KMT2AMEN1MAPK1MAPTTDP1
Ammonia Solution, Strong SCHEMBL28760030 0.68 KDM4E (0.73) KMT2AMEN1MAPK1MAPTTDP1
Bromide SCHEMBL698678 0.68 KDM4E (0.79) KMT2AMEN1MAPK1MAPTTDP1
Dibenzoylmethane SCHEMBL39582 0.67 MEN1 (1.00) KMT2AMEN1MAPK1MAPTTDP1
SCHEMBL719034 0.67 NR4A2 (0.85) KMT2AMEN1MAPK1MAPTTDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1098647-B1 COMPOUNDS AND COMPOSITIONS FOR TREATING TISSUE ISCHEMIA LONG ISLAND JEWISH RES INST (US) 2005-03-23 EP claimed